Happy new year! Since February 2014, some FightAIDS@Home experiments have been using
AutoDock Flexible Vina.
Note: one AutoDock "batch" involves docking up to 1,000 compounds, while one AD Vina batch involves docking up to 10,000 compounds.
Batches of Vina Experiments starting from Experiment 149 (from batch 865236) now include up to 100K compounds.

Experiments 161 through 166 target the active site of HIV protease with 6 libraries (Full NCI,
Enamine, ChemBridge, Asinex,
Vitas-M and Maybridge). These receptors include important mutations of HIV protease. Structures with "Alt" indicate receptors with some alternate postions for certain residues.

Results of these FightAIDS@Home experiments
are available to the public as raw, unprocessed AutoDock dlg files upon request.
E-mail Dr. Daniel N. Santiago = dsantiag ]~[ scripps . edu (use the @ symbol to replace the ]~[ and remove the spaces) for further information. Please
include the phrase "FAAH data" in the subject line of your e-mail.
Since the amount of data is on the order of many terabytes, you will need to provide
suitable media (such as external hard drives) for receiving a copy of these results.

Created by Dr. Garrett M. Morris and
curated by Dr. Alex L. Perryman from 2007 to August, 2013. Now curated by Dr. Daniel N. Santiago. The
HIVE logo above was created by Dr. Stefano Forli.
Last modified: 12/09/2014 by Daniel N. Santiago, Ph.D.